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CHEBI:141874 - 3-R,S-hydroxytabernaelegantine A

ChEBI IDCHEBI:141874
ChEBI Name3-R,S-hydroxytabernaelegantine A
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC43H54N4O6
Net Charge0
Average Mass722.927
Monoisotopic Mass722.40434
SMILES[H][C@]12CN3CCc4c(nc5cc(OC)c([C@@]6(O)C[C@]7([H])C(C(=O)OC)[C@]([H])(Cc8c6nc6ccccc86)N(C)C[C@H]7CC)cc45)[C@@](C(=O)OC)(C1)[C@@]3([H])[C@]([H])(CC)C2
InChIInChI=1S/C43H54N4O6/c1-7-24-15-23-19-42(41(49)53-6)37-27(13-14-47(21-23)39(24)42)28-16-31(35(51-4)18-33(28)45-37)43(50)20-30-25(8-2)22-46(3)34(36(30)40(48)52-5)17-29-26-11-9-10-12-32(26)44-38(29)43/h9-12,16,18,23-25,30,34,36,39,44-45,50H,7-8,13-15,17,19-22H2,1-6H3/t23-,24-,25-,30+,34+,36?,39-,42+,43+/m1/s1
InChIKeyWSXQQVWDFOHOIB-DKQJEFSASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-R,S-hydroxytabernaelegantine A (CHEBI:141874) is a monoterpenoid indole alkaloid (CHEBI:65323)